CID 3833816

4h,5h,6h,7h,8h,9h-cycloocta[d][1,3]thiazol-2-amine

Structural Information

Molecular Formula
C9H14N2S
SMILES
C1CCCC2=C(CC1)N=C(S2)N
InChI
InChI=1S/C9H14N2S/c10-9-11-7-5-3-1-2-4-6-8(7)12-9/h1-6H2,(H2,10,11)
InChIKey
WGULVBTUKIEYSA-UHFFFAOYSA-N
Compound name
4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

182.08777 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.095046 148.6
[M+Na]+ 205.076988 153.7
[M-H]- 181.080494 150.1
[M+NH4]+ 200.121593 158.4
[M+K]+ 221.050928 153.5
[M+H-H2O]+ 165.085030 145.0
[M+HCOO]- 227.085971 155.8
[M+CH3COO]- 241.101621 153.7
[M+Na-2H]- 203.062436 147.8
[M]+ 182.08722142 147.3
[M]- 182.08831858 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe